2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide

C18H30N4O — CID 49124992

IUPAC2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)N1CCCC1CC(C)(C)C
InChIInChI=1S/C18H30N4O/c1-18(2,3)11-13-7-6-10-22(13)17(23)20-15-8-5-9-16-14(15)12-19-21(16)4/h12-13,15H,5-11H2,1-4H3,(H,20,23)
InChIKeyHXLMXUSJSMSCAM-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.41
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide

2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 49124992) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID49124992
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)N1CCCC1CC(C)(C)C
InChIInChI=1S/C18H30N4O/c1-18(2,3)11-13-7-6-10-22(13)17(23)20-15-8-5-9-16-14(15)12-19-21(16)4/h12-13,15H,5-11H2,1-4H3,(H,20,23)
InChIKeyHXLMXUSJSMSCAM-UHFFFAOYSA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-methoxy-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 113233382
(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
CID 95194911
(1S,6S)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124855741
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 52658202

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide (CID 49124992) is 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide is Cn1ncc2c1CCCC2NC(=O)N1CCCC1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is HXLMXUSJSMSCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-18(2,3)11-13-7-6-10-22(13)17(23)20-15-8-5-9-16-14(15)12-19-21(16)4/h12-13,15H,5-11H2,1-4H3,(H,20,23).
What are the key properties of 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide?
2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 49124992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).